CID 2736003

25006-86-4

Structural Information

Molecular Formula
C8H7Br2F
SMILES
C1=CC(=C(C(=C1)CBr)F)CBr
InChI
InChI=1S/C8H7Br2F/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKey
LFPRPXHVBUBKOS-UHFFFAOYSA-N
Compound name
1,3-bis(bromomethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

279.88986 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89714 138.1
[M+Na]+ 302.87908 149.8
[M-H]- 278.88258 144.2
[M+NH4]+ 297.92368 158.2
[M+K]+ 318.85302 134.2
[M+H-H2O]+ 262.88712 146.0
[M+HCOO]- 324.88806 154.2
[M+CH3COO]- 338.90371 201.5
[M+Na-2H]- 300.86453 145.4
[M]+ 279.88931 171.3
[M]- 279.89041 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe